2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide

C14H19F3N2O2 — CID 79793690

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
SMILESCc1ccc(OCC(C)NC(=O)C(C)(N)C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-9-4-6-11(7-5-9)21-8-10(2)19-12(20)13(3,18)14(15,16)17/h4-7,10H,8,18H2,1-3H3,(H,19,20)
InChIKeyMGTHGOXCVQPRJS-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.16
Rot. Bonds5

About 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide (PubChem CID 79793690) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
PubChem CID79793690
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
SMILESCc1ccc(OCC(C)NC(=O)C(C)(N)C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O2/c1-9-4-6-11(7-5-9)21-8-10(2)19-12(20)13(3,18)14(15,16)17/h4-7,10H,8,18H2,1-3H3,(H,19,20)
InChIKeyMGTHGOXCVQPRJS-UHFFFAOYSA-N
XLogP2.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
CID 86592663
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 61171488
2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 94625062
2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 81088183
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 104903220
2-amino-3-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 61170705
2-[1-(4-methylphenoxy)propan-2-ylamino]-N-propan-2-ylpropanamide
CID 61168701
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
CID 100760780
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194
2,2-dimethyl-3-[1-(4-methylphenoxy)propan-2-ylamino]propanoic acid
CID 79623844
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide (CID 79793690) is 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide is Cc1ccc(OCC(C)NC(=O)C(C)(N)C(F)(F)F)cc1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide?
The InChIKey is MGTHGOXCVQPRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9-4-6-11(7-5-9)21-8-10(2)19-12(20)13(3,18)14(15,16)17/h4-7,10H,8,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide has a molecular weight of 304.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(4-methylphenoxy)propan-2-yl]propanamide is sourced from PubChem (CID 79793690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).